1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide

C14H23N3O2 — CID 79606929

IUPAC1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H23N3O2/c15-14(19)12-2-1-5-17(12)13(18)8-9-6-10-3-4-11(7-9)16-10/h9-12,16H,1-8H2,(H2,15,19)
InChIKeyNTFBKMXGBSGRSL-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.38
Rot. Bonds3

About 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 79606929) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID79606929
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H23N3O2/c15-14(19)12-2-1-5-17(12)13(18)8-9-6-10-3-4-11(7-9)16-10/h9-12,16H,1-8H2,(H2,15,19)
InChIKeyNTFBKMXGBSGRSL-UHFFFAOYSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 79606929) is 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is NTFBKMXGBSGRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-14(19)12-2-1-5-17(12)13(18)8-9-6-10-3-4-11(7-9)16-10/h9-12,16H,1-8H2,(H2,15,19).
What are the key properties of 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide?
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79606929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).